Geometry & MOs

Info

ID:

397310

PubChem CID:

135030024

Reduced:

SN3O3H5C7 (1)

Stoich.:

AB3C3D5E7 (1)

Weight, g/mol:

762.328651

ΔHf, kcal/mol:

4.54

Dipole, Da:

5.16

IP(EA), eV:

-9.19(-1.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1Z,25R,26R)-25,26-dibutylpentadecacyclo[24.22.2.22,18.03,8.010,17.011,16.019,24.027,32.033,50.034,41.035,40.042,49.043,48.09,52.025,51]dopentaconta-1,3,5,7,9(52),10(17),11,13,15,18(51),19,21,23,27,29,31,33(50),34(41),35,37,39,42(49),43,45,47-pentacosaene

Drug info:

PubChemData

Smile

C1=CSC2=C1NC(=NC2=O)C[N+](=O)[O-]

DOS

IR

Vibrations